SCHEMBL5263079

SCHEMBL5263079

[c]1cnc2c(c1)NCCO2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21053111 0.89
SCHEMBL2067438 0.70 GRM5 (0.41) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL304791 0.69 GRM5 (0.46) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL479824 0.69 GRM5 (0.46) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL16599573 0.68
SCHEMBL1190111 0.68 GRM5 (0.36) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL21053378 0.68
SCHEMBL21052921 0.68
SCHEMBL910403 0.68 MMP12 (0.36) ALDH1A1MAPT
SCHEMBL582230 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392032-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME Arena Pharmaceuticals, Inc. (US) 2024-07-03 EP claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-20230416225-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-28 US claimed
US-20230406864-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-21 US claimed
EP-4240362-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP claimed
EP-4240361-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
WO-2023026185-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME ARENA PHARMACEUTICALS, INC. (US) 2023-03-02 WO claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
WO-2022098807-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 WO claimed
WO-2022098809-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 WO claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP claimed
CN-111699189-A Modulators of beta-3 adrenergic receptors useful for the treatment or prevention of heart failure and disorders associated therewith 艾尼纳制药公司 2020-09-22 CN claimed
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-19 US claimed
WO-2019113359-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2019-06-13 WO claimed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP claimed
EP-4392032-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME Arena Pharmaceuticals, Inc. (US) 2024-07-03 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 GRM5 945/4885ALDH1A1 700/4885GAA 1959/4885
US-20230416225-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 PDXK, PHKG1, PHKG2 GRM5 2999/4885ALDH1A1 1135/4885GAA 793/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH GRM5 3836/4885ALDH1A1 3931/4885GAA 4056/4885
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 GRM5 1904/4885ALDH1A1 333/4885GAA 1653/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 GRM5 861/4885ALDH1A1 682/4885GAA 1863/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 GRM5 861/4885ALDH1A1 682/4885GAA 1863/4885
US-20230406864-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, HIPK1, PDXK GRM5 3657/4885ALDH1A1 2122/4885GAA 1573/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.